N-(2-ethylphenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-(1-oxo-4-phenoxybutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-2-20-9-6-7-12-22(20)25-23(28)19-26-14-16-27(17-15-26)24(29)13-8-18-30-21-10-4-3-5-11-21/h3-7,9-12H,2,8,13-19H2,1H3,(H,25,28)/p+1